Vitas-M small molecule compound
N-{1-[5-({2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK132570
SMILES C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(NC(=O)c1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-5-15-30-23(18(4)26-24(32)20-12-8-7-9-13-20)28-29-25(30)33-16-21(31)27-22-17(3)11-10-14-19(22)6-2/h5,7-14,18H,1,6,15-16H2,2-4H3,(H,26,32)(H,27,31)InChIKey
SVDMDFWGLAQAFK-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3)C
InChI=1SC25H29N5O2Sc15153023(18(4)2624(32)20128791320)282925(30)331621(31)272217(3)11101419(22)62h571418H161516H224H3(H2632)(H2731)
MFCD04337217
N(1(5((2((2ETHYL6METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(2(2ETHYL6METHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000001115465
ZINC000001115468
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